SCHEMBL3786173

SCHEMBL3786173

Nc1c(Oc2ccccc2)cccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CTNNB1 P35222 1/20 0.43
LIPE Q05469 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.41
ADORA2A P29274 1/20 0.41
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
MAOB P27338 1/20 0.40
HRH1 P35367 1/20 0.40
MAOA P21397 1/20 0.39
TSPO P30536 1/20 0.39
RIPK1 Q13546 1/20 0.39
SLC6A2 P23975 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29889491 0.83 ENPP2 (0.59) ENPP2CA1CA2CTNNB1LIPE
SCHEMBL20600 0.83 ENPP2 (0.59) ENPP2CA1CA2CTNNB1LIPE
SCHEMBL3790554 0.80 ENPP2 (0.47) ENPP2CA1CA2CTNNB1LIPE
SCHEMBL6745256 0.78 LTA4H (0.50) CTNNB1GAALMNAKMT2AALDH1A1
SCHEMBL3784200 0.77 ENPP2 (0.63) ENPP2CA1CA2LIPELMNA
SCHEMBL4068585 0.76 ALDH1A1 (0.49) CTNNB1GAALMNAKMT2AALDH1A1
SCHEMBL565201 0.76 CTNNB1 (0.47) CTNNB1ALDH1A1DPP4ADORA2AMAOB
SCHEMBL22588290 0.76 ALDH1A1 (0.57) CA1CA2CTNNB1GAAALDH1A1
SCHEMBL3789845 0.75 CA1 (0.44) ENPP2CA1CA2LIPEGAA
SCHEMBL113777 0.75 GAA (0.52) CTNNB1GAALMNAKMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ENPP2 1920/4885CA1 3273/4885CA2 1992/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.